EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:199538 - WS-5995 A

ChEBI IDCHEBI:199538
ChEBI NameWS-5995 A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H12O6
Net Charge0
Average Mass336.299
Monoisotopic Mass336.06339
SMILESCOc1cc(C)cc2c(=O)oc3c(c12)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C19H12O6/c1-8-6-10-14(12(7-8)24-2)15-16(21)9-4-3-5-11(20)13(9)17(22)18(15)25-19(10)23/h3-7,20H,1-2H3
InChIKeyLUXDHHSVJLVLPS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7451360)
ChEBI Ontology
Outgoing Relation(s)
WS-5995 A (CHEBI:199538) is a organic heterotricyclic compound (CHEBI:26979)
WS-5995 A (CHEBI:199538) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
8-hydroxy-1-methoxy-3-methylnaphtho[3,2-c]isochromene-5,7,12-trione
Manual XrefsDatabases
137716ChemSpider